CID 12565

Precocene ii

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C
InChI
InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
InChIKey
PTIDGSWTMLSGAH-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2,2-dimethylchromene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

75
References

5117
Patents

220.10994 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 145.9
[M+Na]+ 243.099158 155.9
[M-H]- 219.102664 152.0
[M+NH4]+ 238.143763 166.9
[M+K]+ 259.073098 155.5
[M+H-H2O]+ 203.107200 140.3
[M+HCOO]- 265.108141 167.4
[M+CH3COO]- 279.123791 190.2
[M+Na-2H]- 241.084606 154.4
[M]+ 220.10939142 151.2
[M]- 220.11048858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe